[4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-methyl-2-nitro-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H16BrNO5/c1-12-4-2-5-15(17(12)20(23)24)18(22)25-11-3-6-16(21)13-7-9-14(19)10-8-13/h2,4-5,7-10H,3,6,11H2,1H3